Structure of PDB 7ete Chain C Binding Site BS03

Receptor Information
>7ete Chain C (length=253) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVNTVNYFKQKLKTEQQIGMWVGLADGYCAEIAANVGYDWLLIDGEHAPN
DVRSILAQLQSIAAYPSQAVVRPVSGDVPLIKQLLDIGAQTLLIPMVESA
EQAELMVKATRYPPEGIRGVGAALARASRWNNISDYLQTADEQICLLVQV
ESKKGLDNLDEILNVDGVDGIFIGPADLSAALGYRGNPGHEFVQNIIVQT
IQKIRAAGKAAGILSADEKLAKQYLELGTEFVAVGVDTSLLMKSMKQLLS
KFK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7ete Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ete Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E151 D177
Binding residue
(residue number reindexed from 1)		E151 D177
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.52: 4-hydroxy-2-oxoheptanedioate aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
Biological Process
GO:0010124 phenylacetate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7ete, PDBe:7ete, PDBj:7ete
PDBsum7ete
PubMed34624314
UniProtA0A8I1ZEE8

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